SCHEMBL20576535

SCHEMBL20576535

CCc1cc(-c2cc(NC(=O)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nn2C)cc2cnc(N[C@H]3CC[C@H](N)CC3)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.37
▸ TYRO3 Q06418 1/20 0.37
▸ MERTK Q12866 1/20 0.37
▸ MCHR1 Q99705 3/20 0.37
▸ ADORA2B P29275 3/20 0.36
▸ ADORA1 P30542 3/20 0.36
▸ HTR1A P08908 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ RIPK1 Q13546 1/20 0.34
▸ PSEN1 P49768 2/20 0.34
▸ PSEN2 P49810 2/20 0.34
▸ APH1B Q8WW43 2/20 0.34
▸ NCSTN Q92542 2/20 0.34
▸ APH1A Q96BI3 2/20 0.34
▸ PSENEN Q9NZ42 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CSNK1A1 P48729 2/20 0.34
▸ CDK7 P50613 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20576534 1.00 AXL (0.37) AXLTYRO3MERTKMCHR1ADORA2B
SCHEMBL20576633 0.96 ADORA2B (0.35) AXLTYRO3MERTKMCHR1ADORA2B
SCHEMBL20576632 0.96 ADORA2B (0.35) AXLTYRO3MERTKMCHR1ADORA2B
SCHEMBL20576566 0.94 ADORA2B (0.43) ADORA2BADORA1RIPK1CDK1FLT3
SCHEMBL20576568 0.94 ADORA2B (0.43) ADORA2BADORA1RIPK1CDK1FLT3
SCHEMBL20575926 0.93 RIPK1 (0.43) AXLTYRO3MERTKMCHR1ADORA2B
SCHEMBL20575924 0.93 RIPK1 (0.43) AXLTYRO3MERTKMCHR1ADORA2B
SCHEMBL20576582 0.92 MCHR1 (0.36) MCHR1ADORA2BADORA1HTR1AADRA2A
SCHEMBL20576585 0.92 MCHR1 (0.36) MCHR1ADORA2BADORA1HTR1AADRA2A
SCHEMBL20576822 0.89 AXL (0.40) AXLTYRO3MERTKMCHR1HTR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392367-B2 IRE1 small molecule inhibitors QUENTIS THERAPEUTICS, INC. (US) 2019-08-27 — — US claimed
US-20180346447-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2018-12-06 — — US claimed
US-10392367-B2 IRE1 small molecule inhibitors QUENTIS THERAPEUTICS, INC. (US) 2019-08-27 — — US disclosed
US-10392367-B2 IRE1 small molecule inhibitors QUENTIS THERAPEUTICS, INC. (US) 2019-08-27 — — US disclosed
US-20180346447-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2018-12-06 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10392367-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 AXL 3271/4885TYRO3 4016/4885MERTK 2689/4885
US-20180346447-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 AXL 3271/4885TYRO3 4016/4885MERTK 2689/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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